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	hartrees
Energy at 0K	-596.485518
Energy at 298.15K	-596.488103
Nuclear repulsion energy	99.000621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3105	2987	22.93
2	A'	1564	1505	0.14
3	A'	1404	1351	37.82
4	A'	1086	1044	107.17
5	A'	670	645	106.32
6	A'	347	334	2.20
7	A"	3173	3052	17.96
8	A"	1258	1210	0.82
9	A"	1020	982	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.829	0.000
F2	1.391	0.779	0.000
Cl3	-0.693	-0.859	0.000
H4	-0.373	1.312	0.902
H5	-0.373	1.312	-0.902

	C1	F2	Cl3	H4	H5
C1		1.3920	1.8248	1.0891	1.0891
F2	1.3920		2.6509	2.0513	2.0513
Cl3	1.8248	2.6509		2.3731	2.3731
H4	1.0891	2.0513	2.3731		1.8041
H5	1.0891	2.0513	2.3731	1.8041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.268	F2	C1	H4	110.958
F2	C1	H5	110.958	Cl3	C1	H4	106.301
Cl3	C1	H5	106.301	H4	C1	H5	111.847

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: B3LYP/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.145
2	F	-0.267
3	Cl	-0.065
4	H	0.239
5	H	0.239

	x	y	z	Total
	-0.957	1.861	0.000	2.092
CHELPG
AIM
ESP

	x	y	z
x	2.757	0.775	0.000
y	0.775	3.804	0.000
z	0.000	0.000	2.202

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)